
Heteronuclear single quantum coherence spectroscopy - Wikipedia
The heteronuclear single quantum coherence or heteronuclear single quantum correlation experiment, normally abbreviated as HSQC, is used frequently in NMR spectroscopy of organic molecules and is of particular significance in the field of protein NMR. The experiment was first described by Geoffrey Bodenhausen and D. J. Ruben in 1980. [1]
利用1H-15N-HSQC二维谱确定蛋白质和配体的相互作用界面
1H-15N HSQC原理介绍:1H-15N HSQC谱,全称为1H-15N 异核单量子相干谱(1H-15N Heteronuclear Single Quantum Coherence spectroscopy),是生物核磁研究中最基础也是最常用的一个二维谱。图四所示是1H-15N HSQC核磁脉冲序列:
有机化合物核磁共振(NMR)谱图解析 - 知乎 - 知乎专栏
HSQC谱可联系相隔1个共价键的氢核和碳核,如-CH-。 如下图,当知道某氢核的谱峰位置,顺藤摸瓜,通过QC谱图,找到相对应的碳核信号。 如遇像-CH2-这两个氢非化学等价的情况,那么一个碳信号就会对应两个氢信号,此时,且位于两个氢信号的中间位置。 一维氢谱和碳谱描述了单个原子信息,2D NMR中的1H-1H COSY和HSQC,组合了相近原子间的信息,通过以上方式,我们仅知道分子的片段信息,只有再把片段与片段信息组合起来,我们才可知道整个分子的信息。 …
7.4: Two Dimensional Heteronuclear NMR Spectroscopy
Feb 11, 2023 · Hetereonuclear Single Quantum Coherence (HSQC) is used to determine the proton to carbon or heteroatom (often nitrogen) single bond correlations. It is also known as heteronuclear multiple quantum coherence (HMQC).
Protein Labeling and Structure Determination by NMR Spectroscopy …
Aug 26, 2021 · Depending on the pH and temperature of the sample, peaks may be observed from the side-chains NH groups of Arg, His, and Lys. Specifically tailored [15 N-1 H] HSQC for observing the NH groups are also available. Hence, this HSQC spectrum is very helpful for initial quality assessment of the protein.
2D HSQC - NMR Wiki
Jul 2, 2010 · 2D HSQC (Heteronuclear Single Quantum Coherence) experiment correlates chemical shifts of directly bound nuclei (i.e. two types of chemical nuclei). For example 1 H, 15 N-HSQC correlates chemical shifts within NH groups. For similar correlations over multiple bonds 2D HMBC experiment can be used.
原 】 有机基础知识---二维核磁谱(2D-NMR) - 360doc
May 22, 2024 · HSQC :异核单量子关系 (heteronuclear singular quantum correlation , HSQC), 隶属于 NMR (核磁共振) C-H COSY 谱图中的一种。 HSQC 与 HMQC 的谱图相同,都是显示 1 H 核和与其直接相连的 13 C 核的相关峰,其作用相应于 C,H-COSY 谱。
有机化合物波谱结构解析(实例) - 知乎 - 知乎专栏
目标:完成化合物的氢、碳归属•1H NMR(D2O交换):化学位移、积分面积和偶合裂分 •13C NMR(DEPT 135):化学位移、区分碳的级数 •HSQC:H-C直接相关(1J) •HMBC:H-C远程相关(2J~3J) 最后留一个问题供大…
UPLC-Q-TOF–MS/MS and NMR studies for the structural
Mar 14, 2025 · Both -NH and -NH 2 are assigned using 15 N-HSQC spectrum (Fig. S4 a and b). Contour peaks positioned at δ 125.6, 7.446 ppm and 110.9, 6.779 ppm chemical shifts (15 N, 1 H) in 15 N HSQC spectrum are assigned to –NH 2 and -NH groups respectively. Similarly, all the 1 H and 13 C one bond correlations are assigned using 13 C-HSQC spectrum (Fig. 4).
液体核磁共振HSQC实验的量子化学计算与模拟 - 仁和软件
摘要: 核磁共振(nmr)异核单量子相干(hsqc)实验因具有较高的灵敏度和分辨率而被广泛用于液体大分子化合物的结构鉴定和研究.然而由于hsqc脉冲的复杂性,需要严格控制实验参数和实验条件才能得到高质量的谱图.本文基于量子力学原理对hsqc实验进行数学建模 ...
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